Geometry & MOs

Info

ID:	197343
PubChem CID:	78953586
Reduced:	BrN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	319.88597
ΔH_f, kcal/mol:	55.57
Dipole, Da:	2.65
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyrimidin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC2=NC=C(C=N2)Br

DOS

IR

Vibrations